SCHEMBL28082040

SCHEMBL28082040

CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
RAD52 P43351 1/20 0.55
POLB P06746 3/20 0.53
KMT2A Q03164 1/20 0.53
SIRT6 Q8N6T7 2/20 0.52
THRB P10828 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28081999 0.86 ALDH1A1 (0.49) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28081956 0.84 ALDH1A1 (0.48) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28081971 0.84 ABCB1 (0.53) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28256304 0.84 MAPT (0.51) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28082001 0.83 ALDH1A1 (0.51) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28081992 0.82 ALDH1A1 (0.58) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28081957 0.82 KCNH2 (0.50) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28081991 0.82 MAPT (0.51) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28082028 0.79 HRH4 (0.62) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL17800249 0.74 ENPP2 (0.46) ALDH1A1MAPTKMT2ATHRBRXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820104-B A kind of indoles -2- amides compound with anti-inflammatory effect and its application in preparing anti-inflammatory drugs 温州医科大学 2018-12-11 CN disclosed
CN-105820104-A Indole-2-acetamide compound with anti-inflammatory effect, and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2016-08-03 CN disclosed